SCHEMBL10077719

SCHEMBL10077719

CC(C)(c1ccc(O)cc1)c1ccc(OCC(O)CN(CCN)CCN)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.60
▸ HIF1A Q16665 1/20 0.60
▸ AR P10275 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.45
▸ LMNA P02545 1/20 0.44
▸ SLC6A2 P23975 2/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ GAA P10253 4/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ HTR6 P50406 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1101870 0.90 HTT (0.60) HTTHIF1AARKDM4EMAPK1
SCHEMBL10078135 0.89 HTT (0.61) HTTHIF1AARKDM4EMAPK1
SCHEMBL1101566 0.86 HTT (0.55) HTTHIF1AARKDM4EMAPK1
SCHEMBL25085460 0.83 ALDH1A1 (0.58) HTTHIF1AARKDM4EMAPK1
SCHEMBL10077718 0.83 HTT (0.58) HTTHIF1AARKDM4EALDH1A1
SCHEMBL13567688 0.82 HTT (0.65) HTTHIF1AARKDM4EALDH1A1
SCHEMBL18120597 0.82 KDM4E (0.71) HTTHIF1AARKDM4EMAPK1
SCHEMBL24120058 0.80 HTT (0.54) HTTHIF1AARKDM4EMAPK1
SCHEMBL12266064 0.79 HTT (0.61) HTTHIF1AARKDM4EALDH1A1
SCHEMBL24083864 0.79 AR (0.67) HTTHIF1AARKDM4EMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120160685-A1 COATING LINE AND PROCESS FOR FORMING A MULTILAYER COMPONENT COATING ON A SUBSTRATE PPG INDUSTRIES OHIO, INC. (US) 2012-06-28 — — US disclosed
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